Geometry & MOs

Info

ID:	162068
PubChem CID:	57393508
Reduced:	SN2O2C21H38 (1)
Stoich.:	AB2C2D21E38 (1)
Weight, g/mol:	383.273225
ΔH_f, kcal/mol:	-97.06
Dipole, Da:	2.58
IP(EA), eV:	-8.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[3-[4-(2-octanoyl-1,3-oxazol-5-yl)butylsulfanyl]propyl]azanium

Drug info:

PubChemData

Smile

CCCCCCCC(=O)C1=NC=C(O1)CCCCCSCCCN(C)C

DOS

IR

Vibrations